Mesoscopic simulation studies on micellar phases of Pluronic P103 solution

Area of Science:

• Polymer Science
• Materials Science
• Physical Chemistry

Background:

• Triblock copolymer surfactants self-assemble into various aggregates in solution.
• Understanding these structures is crucial for applications in nanotechnology and materials science.
• P103 [(ethylene oxide)17(propylene oxide)60(ethylene oxide)17] is a relevant model system.

Purpose of the Study:

• To investigate the microphase separation dynamics of P103 triblock copolymer.
• To explore the formation and structural evolution of different self-assembled aggregates.
• To elucidate the influence of concentration on aggregate morphology.

Main Methods:

• Dynamic variant of mean-field density functional theory.
• Mesoscopic simulation of amphiphilic polymer solutions.
• Analysis of order parameters to determine equilibrium times.

Main Results:

• Spherical micelles form readily above the critical micelle concentration (CMC), featuring a PPO core and hydrated PEO corona.
• Micellar clusters with larger PPO cores emerge at 10-15% concentration due to spherical micelle coalescence.
• Disk-like micelles form at concentrations above 16% volume.
• Spherical micelles reach equilibrium faster than micellar clusters or disk-like micelles.

Conclusions:

• Mesoscopic simulations effectively complement experimental findings for amphiphilic polymers.
• The study provides valuable mesoscale insights into copolymer self-assembly dynamics.
• Concentration is a key factor governing the morphology and stability of P103 aggregates.